4-(4-Methylphenyl)-1,2,3,6-tetrahydropyridin-1-ium
Basic information
- CAS
59084-09-2- Standard SMILES
Cc1ccc(C2=CC[NH2+]CC2)cc1- InChIKey
LHRYYSNFHJCZDT-UHFFFAOYSA-O- Molecular formula
- C12H16N+
- Average molar mass
- 174.26 g/mol
- Monoisotopic mass
- 174.12827452
Overview
See also: 4-(4-Methylphenyl)-1,2,3,6-tetrahydropyridine (annotation moved to).
Names & identifiers
- Preferred name
- 4-(4-Methylphenyl)-1,2,3,6-tetrahydropyridin-1-ium
- IUPAC
- 4-(4-methylphenyl)-1,2,3,6-tetrahydropyridin-1-ium
- English name
- 4-(4-Methylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride
- Molecular formula
- C12H15N
- Molecular weight
- 173.25
Names & synonyms
59084-09-24-(4-methylphenyl)-1,2,3,6-tetrahydropyridin-1-iumDTXSID80974538Pyridine, 1,2,3,6-tetrahydro-4-(4-methylphenyl)-
Database identifiers
- CAS
59084-09-2- PubChem CID
- 6994512
- DTXSID
DTXSID80974538
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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